2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide

C27H34FN5O3 — CID 17036622

IUPAC2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H34FN5O3/c1-19(2)20-3-7-22(8-4-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-9-5-21(28)6-10-23/h3-10,19,24H,11-18H2,1-2H3,(H,29,36)(H,30,34)
InChIKeyWGAWMRGWLZKDIX-UHFFFAOYSA-N
MW495.60 g/mol
LogP2.43
Rot. Bonds7

About 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 17036622) has the molecular formula C27H34FN5O3 and a molecular weight of 495.60 g/mol. Its IUPAC name is 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID17036622
Molecular FormulaC27H34FN5O3
Molecular Weight495.60 g/mol
Exact Mass495.26
IUPAC Name2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H34FN5O3/c1-19(2)20-3-7-22(8-4-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-9-5-21(28)6-10-23/h3-10,19,24H,11-18H2,1-2H3,(H,29,36)(H,30,34)
InChIKeyWGAWMRGWLZKDIX-UHFFFAOYSA-N
XLogP2.43
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43864608
N-(4-chlorophenyl)-2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29104548
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282
2-[(2R)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 29161158
N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 93488613
N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233
2-[(2R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
CID 29111560
N-(4-fluorophenyl)-2-[(2R)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29044636
N-(4-fluorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653809
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
N-(4-bromophenyl)-2-[(2S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 98281204
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17036604

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 17036622) is 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WGAWMRGWLZKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O3/c1-19(2)20-3-7-22(8-4-20)30-25(34)17-24-27(36)29-11-12-33(24)26(35)18-31-13-15-32(16-14-31)23-9-5-21(28)6-10-23/h3-10,19,24H,11-18H2,1-2H3,(H,29,36)(H,30,34).
What are the key properties of 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 495.60 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 17036622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).